| SpectraBase Compound ID | Bo3OXV8qi2b |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-10(2)7-5-6-8-11(3)9-14-12(4)13/h7,11H,5-6,8-9H2,1-4H3 |
| InChIKey | YSZSGQMKKIAERG-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EMtBPU80Qzi |
|---|---|
| Name | Citronellyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-10(2)7-5-6-8-11(3)9-14-12(4)13/h7,11H,5-6,8-9H2,1-4H3 |
| InChIKey | YSZSGQMKKIAERG-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | CC(=CCCCC(COC(=O)C)C)C |